Experimental (solid) and calculated (dashed) Via(t) for the double-stranded Gd538-DNA. The calculated kinetics is based on the distribution function shown in the Insert by dashed line.
Insert: dashed line, distance distribution function, P(r), obtained from TDP using “1-Gaussian fit option” of DeerAnalysys software package. The Gaussian fit parameters are (xo, δ) = (54.3 Å, 7.5 Å). Solid line, P(r) obtained by MD simulations.